MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01038719

Type: Neutral
Formula: C₁₉H₂₀FNO₄S

SMILES:

S1(=O)(=O)CC(N(Cc2ccccc2F)C(=O)COc2ccccc2)CC1

InChI:

InChI=1/C19H20FNO4S/c20-18-9-5-4-6-15(18)12-21(16-10-11-26(23,24)14-16)19(22)13-25-17-7-2-1-3-8-17/h1-9,16H,10-14H2/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.166 kcal/mol

Physical Properties
Molecular Weight: 377.436 g/mol	logS: -4.0265	SlogP: 2.6868	Reactive groups: 0

Topological Properties
Globularity: 0.125023	Sterimol/B1: 2.86944	Sterimol/B2: 4.09971	Sterimol/B3: 4.70864
Sterimol/B4: 7.41656	Sterimol/L: 15.8777

Surface and Volume Properties
Accessible surface: 587.869	Positive charged surface: 306.039	Negative charged surface: 281.831	Volume: 334
Hydrophobic surface: 483.191	Hydrophilic surface: 104.678

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.